Molecule

ID:71009

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂O₂
Molecular Mass
191.01146
Exact Mass
189.95883473
Charge
0
InChI
InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
LIYGCLJYTHRBQV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)c(c(c1)Cl)O
Isomeric Smiles
C(=O)c1cc(c(c(c1)Cl)O)Cl
Calculated Properties
JChem
Acid pKa
4.37421
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4824463
LogD (pH = 7.4)
0.58738554
Log P
2.5902722
Molar Refractivity
44.2325
Polarizability
16.729061
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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